[Pw_forum] ph with vdw-dft

Kanak Datta kanakeee08 at gmail.com
Sat Aug 29 17:36:06 CEST 2015


Dear researchers

I want to calculate the static dielectric constant for multilayer MoS2. I
have been using vdw corrected DFT method for relaxation and scf
calculations. However while using ph package, I am getting the following
message
 "     Error in routine phq_readin (1):
     The phonon code with DFT-D is not yet available"
I am using version 5.1.2 for my calculations.

Is there a way that I can use ph package with vdw corrected DFT method for
static dielectric constant calculation?

Thanks in advance

Kanak, EEE, BUET
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